General
Preferred name
compound 3a [PMID: 22873688]
Synonyms
P&D ID
PD050623
Tags
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
1
Guide to Pharmacology
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
4
Properties
(calculated by RDKit )
Molecular Weight
470.05
Hydrogen Bond Acceptors
13
Hydrogen Bond Donors
5
Rotatable Bonds
7
Ring Count
3
Aromatic Ring Count
2
cLogP
-1.65
TPSA
212.37
Fraction CSP3
0.55
Chiral centers
5.0
Largest ring
6.0
QED
0.13
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
